/* \file 
 *	\brief Lennard-Jones potentials.
 */

#ifndef MDS_LJ_INCLUDED
#define MDS_LJ_INCLUDED 1

#include "../mds/potential.h"

/** \brief Full Real Lennard-Jones */
typedef struct
{
	Real sigma_sq;      /*!< sigma^2    */
	Real epsilon4;      /*!< 4 epsilon  */
	Real epsilon24;     /*!< 24 espilon */
	Real padding[5];    /*!< unused     */
} mds_lj_data;


void mds_lj_init( mds_lj_data *lj, Real epsilon, Real sigma );
Real mds_lj( const mds_vector *r, mds_vector *f, void *args );


#endif

